SCHEMBL4078413

SCHEMBL4078413

COc1cc(O[Ti](C2=C(C(C)(C)C)C=CC2)=C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL716093 0.99 SMN1; SMN2 (0.32) SMN1; SMN2NPC1HTTRAB9APDE4A
SCHEMBL3690232 0.88
Hydrochloric Acid SCHEMBL717997 0.88 SMN1; SMN2 (0.32) SMN1; SMN2NPC1HTTRAB9APDE4A
Hydrochloric Acid SCHEMBL716698 0.88 TACR1 (0.32)
Hydrochloric Acid SCHEMBL714477 0.87
Hydrochloric Acid SCHEMBL715997 0.87 GRM2 (0.34) MAPTCYP3A4TRPV1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL714640 0.86 NPC1 (0.30) SMN1; SMN2NPC1HTTRAB9APDE4A
SCHEMBL3228448 0.86 CA1 (0.30)
Hydrochloric Acid SCHEMBL715225 0.85
SCHEMBL3827612 0.84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113026-B1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2009-12-09 EP disclosed
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed